6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine

C216H156N8O4S2 — CID 161152265

About 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine

6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine (PubChem CID 161152265) has the molecular formula C216H156N8O4S2 and a molecular weight of 2991.81 g/mol. Its IUPAC name is 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine.

Molecular Properties

• Compound Name: 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
• PubChem CID: 161152265
• Molecular Formula: C216H156N8O4S2
• Molecular Weight: 2991.81 g/mol
• Exact Mass: 2989.17
• IUPAC Name: 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
• SMILES: CC(C)c1ccc(N(c2cc3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4cccc5c4oc4ccccc45)cc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(C)cc4)cc3c3ccccc23)cc1.Cc1ccc2oc3ccc(N(c4ccccc4)c4cc5c6ccccc6c(N(c6ccccc6)c6ccc7oc8ccc(C)cc8c7c6)cc5c5ccccc45)cc3c2c1.Cc1ccc2sc3ccc(N(c4ccccc4)c4cc5c6ccccc6c(N(c6ccccc6)c6ccc7sc8ccc(C)cc8c7c6)cc5c5ccccc45)cc3c2c1
• InChI: InChI=1S/C60H46N2O2.C56H38N2O2.C56H38N2S2.C44H34N2/c1-37(2)39-27-31-41(32-28-39)61(53-23-13-21-49-47-19-9-11-25-57(47)63-59(49)53)55-35-51-44-16-6-8-18-46(44)56(36-52(51)43-15-5-7-17-45(43)55)62(42-33-29-40(30-34-42)38(3)4)54-24-14-22-50-48-20-10-12-26-58(48)64-60(50)54;2*1-35-21-25-53-47(29-35)49-31-39(23-27-55(49)59-53)57(37-13-5-3-6-14-37)51-33-45-42-18-10-12-20-44(42)52(34-46(45)41-17-9-11-19-43(41)51)58(38-15-7-4-8-16-38)40-24-28-56-50(32-40)48-30-36(2)22-26-54(48)60-56;1-31-21-25-35(26-22-31)45(33-13-5-3-6-14-33)43-29-41-38-18-10-12-20-40(38)44(30-42(41)37-17-9-11-19-39(37)43)46(34-15-7-4-8-16-34)36-27-23-32(2)24-28-36/h5-38H,1-4H3;2*3-34H,1-2H3;3-30H,1-2H3
• InChIKey: UOVKXTRNUVBYRY-UHFFFAOYSA-N
• XLogP: 64.77
• TPSA: 78.48 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2991.81
LogP ≤ 5	64.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine?

The IUPAC name of 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine (CID 161152265) is 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine.

What is the SMILES notation for 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine?

The canonical SMILES for 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine is CC(C)c1ccc(N(c2cc3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4cccc5c4oc4ccccc45)cc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(C)cc4)cc3c3ccccc23)cc1.Cc1ccc2oc3ccc(N(c4ccccc4)c4cc5c6ccccc6c(N(c6ccccc6)c6ccc7oc8ccc(C)cc8c7c6)cc5c5ccccc45)cc3c2c1.Cc1ccc2sc3ccc(N(c4ccccc4)c4cc5c6ccccc6c(N(c6ccccc6)c6ccc7sc8ccc(C)cc8c7c6)cc5c5ccccc45)cc3c2c1.

What is the InChIKey of 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine?

The InChIKey is UOVKXTRNUVBYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2O2.C56H38N2O2.C56H38N2S2.C44H34N2/c1-37(2)39-27-31-41(32-28-39)61(53-23-13-21-49-47-19-9-11-25-57(47)63-59(49)53)55-35-51-44-16-6-8-18-46(44)56(36-52(51)43-15-5-7-17-45(43)55)62(42-33-29-40(30-34-42)38(3)4)54-24-14-22-50-48-20-10-12-26-58(48)64-60(50)54;2*1-35-21-25-53-47(29-35)49-31-39(23-27-55(49)59-53)57(37-13-5-3-6-14-37)51-33-45-42-18-10-12-20-44(42)52(34-46(45)41-17-9-11-19-43(41)51)58(38-15-7-4-8-16-38)40-24-28-56-50(32-40)48-30-36(2)22-26-54(48)60-56;1-31-21-25-35(26-22-31)45(33-13-5-3-6-14-33)43-29-41-38-18-10-12-20-40(38)44(30-42(41)37-17-9-11-19-39(37)43)46(34-15-7-4-8-16-34)36-27-23-32(2)24-28-36/h5-38H,1-4H3;2*3-34H,1-2H3;3-30H,1-2H3.

What are the key properties of 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine?

6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine has a molecular weight of 2991.81 g/mol, XLogP of 64.77, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine is sourced from PubChem (CID 161152265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).